N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F735-0774 |
| Compound Name: | N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(C(Nc2ccc(cc2)C(N2CCC3(CC2)OCCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2674 |
| logD: | 2.2607 |
| logSw: | -2.8726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.414 |
| InChI Key: | XSMPVIDKNUJIRJ-UHFFFAOYSA-N |